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  • Oprea1_388949,ZINC00065299,T0515-6206, N-[acetamido-[3-(phenoxy)phenyl
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    Oprea1_388949
    ZINC00065299
    T0515-6206

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight298.33642 [g/mol]
    Molecular FormulaC17H18N2O3
    XLogP2.6
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count5
    Tautomer Count3
    Exact Mass298.131742
    MonoIsotopic Mass298.131742
    Topological Polar Surface Area67.4
    Heavy Atom Count22
    Formal Charge0
    Complexity364
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[acetamido-[3-(phenoxy)phenyl]methyl]acetamide
    Canonical SMILES: CC(=O)NC(C1=CC(=CC=C1)OC2=CC=CC=C2)NC(=O)C
    InChI: InChI=1/C17H18N2O3/c1-12(20)18-17(19-13(2)21)14-7-6-10-16(11-14)22-15-8-
    4-3-5-9-15/h3-11,17H,1-2H3,(H,18,20)(H,19,21)/f/h18-19H

    ChemDrug版权识别码:104663433476463503
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